#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcy s SER 2 N 0.00 6.83 0.36 0.00 0.01 -1.26 -4.49 113.70 115.14 2dcy s SER 2 Ca 0.00 2.08 -0.08 0.00 1.31 0.00 0.00 55.95 59.26 2dcy s SER 2 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 2dcy s SER 2 CO 0.00 -0.45 0.68 0.42 0.41 0.00 0.00 173.24 174.30 2dcy s THR 3 N -1.58 4.90 0.00 1.44 -4.23 -1.26 -4.99 115.64 109.92 2dcy s THR 3 Ca 0.56 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 2dcy s THR 3 Cb -0.24 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2dcy s THR 3 CO 0.30 -0.47 0.32 -0.90 -0.54 0.00 0.00 174.62 173.34 2dcy n ASP 4 N -1.24 0.29 -3.96 3.99 5.68 -0.08 -5.01 116.55 116.23 2dcy n ASP 4 Ca 0.00 -1.09 -0.19 0.00 -0.50 0.00 0.00 54.79 53.02 2dcy n ASP 4 Cb 0.54 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.37 2dcy n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2dcy s TYR 5 N -0.09 0.75 -0.10 2.11 5.04 -0.63 -4.68 117.35 119.75 2dcy s TYR 5 Ca 0.00 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 2dcy s TYR 5 Cb 0.00 -0.57 0.01 0.00 0.35 0.00 0.00 41.96 41.75 2dcy s TYR 5 CO 0.00 -0.10 -0.19 -0.46 -1.34 0.00 0.00 175.55 173.46 2dcy s TRP 6 N 0.32 2.20 -0.15 4.97 -0.00 -1.26 -1.05 118.94 123.97 2dcy s TRP 6 Ca -0.04 -0.93 0.01 0.00 -0.00 0.00 0.00 56.10 55.14 2dcy s TRP 6 Cb -0.09 -1.51 0.01 0.00 -0.00 0.00 0.00 33.47 31.88 2dcy s TRP 6 CO 0.00 -0.41 -0.19 -1.14 -0.00 0.00 0.00 176.95 175.21 2dcy s GLN 7 N 0.57 3.09 -0.31 5.86 0.74 -0.02 -4.99 119.66 124.59 2dcy s GLN 7 Ca -0.15 -0.81 -0.00 0.00 0.05 0.00 0.00 55.36 54.45 2dcy s GLN 7 Cb -0.17 -2.52 0.10 0.00 1.10 0.00 0.00 33.01 31.52 2dcy s GLN 7 CO 0.05 -0.02 0.09 1.21 -0.55 0.00 0.00 175.29 176.07 2dcy s ASN 8 N 0.86 4.09 -0.02 6.67 3.04 -1.26 -0.82 114.94 127.50 2dcy s ASN 8 Ca -0.05 -1.67 0.07 0.00 0.04 0.00 0.00 52.86 51.25 2dcy s ASN 8 Cb -0.15 -0.94 -0.02 0.00 -1.54 0.00 0.00 41.25 38.60 2dcy s ASN 8 CO -0.02 -0.41 -0.22 0.86 -3.04 0.00 0.00 177.10 174.27 2dcy s TRP 9 N 1.54 1.99 0.02 0.43 -0.00 -0.24 -5.02 118.94 117.66 2dcy s TRP 9 Ca 0.09 -0.38 0.00 0.00 -0.00 0.00 0.00 56.10 55.82 2dcy s TRP 9 Cb -0.17 -1.28 -0.02 0.00 -0.00 0.00 0.00 33.47 31.99 2dcy s TRP 9 CO -0.23 -0.03 -0.03 -0.08 -0.00 0.00 0.00 176.95 176.57 2dcy s THR 10 N -0.52 0.16 -2.00 5.86 -1.32 -1.26 -0.85 115.64 115.71 2dcy s THR 10 Ca 0.09 -0.83 0.17 0.00 -1.21 0.00 0.00 61.69 59.90 2dcy s THR 10 Cb -0.09 -0.28 0.48 0.00 -1.51 0.00 0.00 72.50 71.10 2dcy s THR 10 CO -0.01 -0.42 1.62 -0.90 -2.21 0.00 0.00 174.62 172.70 2dcy n ASP 11 N 1.75 0.00 0.00 8.08 5.68 -0.51 -4.89 116.55 126.66 2dcy n ASP 11 Ca -0.22 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 2dcy n ASP 11 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2dcy n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dcy n GLY 12 N 0.71 0.54 3.81 6.12 0.00 -1.26 -4.99 105.19 110.12 2dcy n GLY 12 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2dcy n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dcy s GLY 13 N -2.14 2.63 0.00 -0.02 0.00 -1.26 -4.93 107.32 101.61 2dcy s GLY 13 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2dcy s GLY 13 CO 0.00 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2dcy n GLY 14 N 0.55 0.82 3.04 0.20 0.00 -1.12 -3.25 105.19 105.42 2dcy n GLY 14 Ca -0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 2dcy n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dcy s ILE 15 N 0.00 1.22 -0.28 -0.61 -1.09 -0.34 -4.94 121.20 115.16 2dcy s ILE 15 Ca 0.00 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 2dcy s ILE 15 Cb 0.00 -1.11 0.07 0.00 -1.58 0.00 0.00 42.46 39.84 2dcy s ILE 15 CO 0.00 0.38 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.33 2dcy s VAL 16 N 0.67 2.11 -0.83 2.92 1.01 -1.26 -0.68 120.40 124.34 2dcy s VAL 16 Ca -0.14 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 59.97 2dcy s VAL 16 Cb -0.16 -2.32 0.22 0.00 0.00 0.00 0.00 36.38 34.12 2dcy s VAL 16 CO 0.04 -0.18 0.75 0.21 0.00 0.00 0.00 175.10 175.92 2dcy s ASN 17 N 1.09 6.54 -0.16 3.32 2.47 0.13 -5.00 114.94 123.33 2dcy s ASN 17 Ca -0.04 -2.87 -0.07 0.00 0.42 0.00 0.00 52.86 50.31 2dcy s ASN 17 Cb -0.20 -2.14 -0.04 0.00 -1.45 0.00 0.00 41.25 37.43 2dcy s ASN 17 CO -0.06 -0.49 0.07 0.00 -3.72 0.00 0.00 177.10 172.90 2dcy s ALA 18 N -0.11 3.46 -0.13 1.71 0.00 -1.26 -1.18 121.76 124.26 2dcy s ALA 18 Ca 0.20 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2dcy s ALA 18 Cb -0.12 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.14 2dcy s ALA 18 CO -0.08 0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.87 2dcy s VAL 19 N 0.04 1.71 -0.61 0.00 1.01 -0.02 -5.00 120.40 117.52 2dcy s VAL 19 Ca 0.06 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2dcy s VAL 19 Cb -0.12 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2dcy s VAL 19 CO 0.01 0.48 1.09 0.21 0.00 0.00 0.00 175.10 176.89 2dcy s ASN 20 N 1.03 6.31 0.76 3.32 3.84 -1.26 -1.98 114.94 126.96 2dcy s ASN 20 Ca -0.04 -0.33 -0.01 0.00 0.21 0.00 0.00 52.86 52.69 2dcy s ASN 20 Cb -0.15 -2.49 0.02 0.00 -0.55 0.00 0.00 41.25 38.08 2dcy s ASN 20 CO -0.04 -1.46 0.12 0.61 -2.79 0.00 0.00 177.10 173.55 2dcy n GLY 21 N 5.18 -0.37 3.77 1.21 0.00 0.02 -5.01 105.19 110.00 2dcy n GLY 21 Ca 0.03 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 2dcy n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dcy s SER 22 N -1.47 6.36 1.94 1.61 0.15 -1.26 -4.58 113.70 116.46 2dcy s SER 22 Ca 0.07 2.29 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2dcy s SER 22 Cb -0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2dcy s SER 22 CO 0.05 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2dcy n GLY 23 N 0.49 3.59 0.80 9.45 0.00 -1.26 -1.12 105.19 117.14 2dcy n GLY 23 Ca 0.06 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2dcy n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dcy n GLY 24 N 0.00 0.96 3.86 -0.02 0.00 -1.26 -4.84 105.19 103.90 2dcy n GLY 24 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2dcy n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 25 N -1.26 6.69 0.15 1.61 3.84 -0.28 -0.80 114.94 124.91 2dcy s ASN 25 Ca 0.32 0.91 -0.13 0.00 0.21 0.00 0.00 52.86 54.17 2dcy s ASN 25 Cb 0.17 -2.22 0.02 0.00 -0.55 0.00 0.00 41.25 38.67 2dcy s ASN 25 CO 0.24 0.09 0.37 -0.72 -2.79 0.00 0.00 177.10 174.29 2dcy s TYR 26 N -1.52 0.02 0.07 0.43 -0.85 -0.04 -0.80 117.35 114.66 2dcy s TYR 26 Ca 0.38 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.57 2dcy s TYR 26 Cb -0.14 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 2dcy s TYR 26 CO 0.20 -0.74 -0.06 -1.54 -1.52 0.00 0.00 175.55 171.89 2dcy s SER 27 N -2.87 0.94 -0.02 -0.18 1.04 -0.84 -1.12 113.70 110.65 2dcy s SER 27 Ca 0.08 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2dcy s SER 27 Cb 0.02 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.26 2dcy s SER 27 CO -0.07 -0.40 0.02 -0.69 0.98 0.00 0.00 173.24 173.09 2dcy s VAL 28 N -2.90 -0.01 -0.12 5.02 1.01 -0.41 -0.84 120.40 122.14 2dcy s VAL 28 Ca 0.04 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2dcy s VAL 28 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.29 2dcy s VAL 28 CO -0.04 0.09 -0.18 0.20 0.00 0.00 0.00 175.10 175.18 2dcy s ASN 29 N 0.98 2.65 0.10 3.32 0.01 -0.32 -0.74 114.94 120.95 2dcy s ASN 29 Ca -0.08 -0.48 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 2dcy s ASN 29 Cb -0.12 -1.20 -0.04 0.00 0.41 0.00 0.00 41.25 40.30 2dcy s ASN 29 CO -0.03 0.04 -0.09 -1.66 -1.51 0.00 0.00 177.10 173.85 2dcy s TRP 30 N 0.90 1.04 -0.14 2.20 -2.14 -0.36 0.19 118.94 120.63 2dcy s TRP 30 Ca -0.08 -0.72 -0.17 0.00 2.66 0.00 0.00 56.10 57.79 2dcy s TRP 30 Cb -0.15 -0.57 0.04 0.00 -3.10 0.00 0.00 33.47 29.69 2dcy s TRP 30 CO -0.01 -0.02 0.46 -1.54 -2.66 0.00 0.00 176.95 173.18 2dcy s SER 31 N -2.66 -0.46 -1.53 -2.66 1.04 0.14 -0.97 113.70 106.61 2dcy s SER 31 Ca 0.08 0.81 -0.10 0.00 0.48 0.00 0.00 55.95 57.21 2dcy s SER 31 Cb -0.00 0.84 0.08 0.00 0.10 0.00 0.00 66.02 67.03 2dcy s SER 31 CO -0.01 -0.23 0.78 0.59 0.98 0.00 0.00 173.24 175.35 2dcy n ASN 32 N 2.49 -2.99 -4.75 7.02 3.02 -0.68 -1.20 115.26 118.17 2dcy n ASN 32 Ca -0.15 -0.90 -0.26 0.00 -0.03 0.00 0.00 54.58 53.24 2dcy n ASN 32 Cb 0.57 -3.43 0.10 0.00 -0.61 0.00 0.00 39.78 36.40 2dcy n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2dcy s THR 33 N -3.48 2.19 0.00 3.41 -4.23 -0.94 -2.81 115.64 109.78 2dcy s THR 33 Ca 0.46 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2dcy s THR 33 Cb -0.24 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2dcy s THR 33 CO 0.87 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.56 2dcy n GLY 34 N -3.08 0.88 3.87 3.99 0.00 -1.20 -3.07 105.19 106.58 2dcy n GLY 34 Ca 0.10 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2dcy n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 35 N -1.00 6.56 0.09 1.61 3.04 -1.26 -1.14 114.94 122.85 2dcy s ASN 35 Ca 0.00 0.66 -0.15 0.00 0.04 0.00 0.00 52.86 53.41 2dcy s ASN 35 Cb 0.00 -2.14 0.03 0.00 -1.54 0.00 0.00 41.25 37.60 2dcy s ASN 35 CO 0.00 0.32 0.36 0.72 -3.04 0.00 0.00 177.10 175.46 2dcy s PHE 36 N -1.15 -0.16 -0.11 0.43 -0.71 -0.87 -1.42 117.98 113.99 2dcy s PHE 36 Ca 0.23 -0.09 -0.04 0.00 -1.04 0.00 0.00 56.93 55.98 2dcy s PHE 36 Cb -0.14 0.18 0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2dcy s PHE 36 CO 0.11 -0.62 0.22 0.08 -1.34 0.00 0.00 175.22 173.67 2dcy s VAL 37 N -3.35 -0.27 -0.02 -2.49 1.01 -0.03 -1.87 120.40 113.37 2dcy s VAL 37 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.30 2dcy s VAL 37 Cb 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2dcy s VAL 37 CO -0.09 0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.28 2dcy s VAL 38 N 2.07 1.26 -0.03 2.92 1.01 -0.06 -1.08 120.40 126.48 2dcy s VAL 38 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2dcy s VAL 38 Cb -0.12 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.32 2dcy s VAL 38 CO -0.08 0.36 1.14 -0.83 0.00 0.00 0.00 175.10 175.69 2dcy s GLY 39 N -0.30 -0.35 0.03 4.51 0.00 -0.00 -0.20 107.32 111.00 2dcy s GLY 39 Ca 0.05 0.86 0.09 0.00 0.00 0.00 0.00 44.72 45.72 2dcy s GLY 39 CO -0.00 0.24 -0.26 1.25 0.00 0.00 0.00 173.10 174.32 2dcy s LYS 40 N -2.70 1.87 0.00 2.90 2.20 -1.17 -0.84 119.74 122.00 2dcy s LYS 40 Ca 0.11 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 2dcy s LYS 40 Cb 0.01 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2dcy s LYS 40 CO -0.04 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 2dcy n GLY 41 N 1.97 -0.22 3.01 5.54 0.00 -0.21 -0.94 105.19 114.34 2dcy n GLY 41 Ca -0.17 0.47 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 2dcy n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dcy s TRP 42 N 0.00 0.72 0.17 1.61 0.51 0.34 -0.90 118.94 121.38 2dcy s TRP 42 Ca 0.00 -0.17 -0.12 0.00 -2.12 0.00 0.00 56.10 53.69 2dcy s TRP 42 Cb 0.00 -0.45 0.08 0.00 -0.81 0.00 0.00 33.47 32.28 2dcy s TRP 42 CO 0.00 -0.01 1.73 1.15 -0.51 0.00 0.00 176.95 179.31 2dcy h THR 43 N 4.89 1.23 -3.32 2.01 2.02 -1.86 -0.83 112.91 117.05 2dcy h THR 43 Ca -0.31 -0.69 -0.73 0.00 0.77 0.00 0.00 66.41 65.46 2dcy h THR 43 Cb 1.18 0.57 -0.30 0.00 -1.74 0.00 0.00 68.15 67.87 2dcy h THR 43 CO 0.49 0.27 -0.38 -0.89 0.37 0.00 0.00 175.52 175.38 2dcy s THR 44 N -5.58 4.20 0.79 3.16 2.01 -1.26 -2.73 115.64 116.23 2dcy s THR 44 Ca -0.13 -1.86 -0.13 0.00 0.31 0.00 0.00 61.69 59.88 2dcy s THR 44 Cb 0.13 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.95 2dcy s THR 44 CO 0.79 -0.79 1.19 -0.83 -0.69 0.00 0.00 174.62 174.30 2dcy s GLY 45 N 2.57 2.14 0.02 4.40 0.00 0.54 -4.91 107.32 112.09 2dcy s GLY 45 Ca 0.07 0.80 0.02 0.00 0.00 0.00 0.00 44.72 45.60 2dcy s GLY 45 CO -0.01 1.21 -0.06 -0.45 0.00 0.00 0.00 173.10 173.79 2dcy s SER 46 N -2.23 0.62 0.00 1.64 0.15 -1.26 -4.83 113.70 107.78 2dcy s SER 46 Ca 0.72 -0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.23 2dcy s SER 46 Cb -0.28 0.01 1.28 0.00 -1.71 0.00 0.00 66.02 65.33 2dcy s SER 46 CO 0.50 -0.13 1.74 -0.81 1.20 0.00 0.00 173.24 175.74 2dcy n PRO 47 N 2.04 0.57 -0.21 5.44 -0.04 -1.26 -3.11 135.00 138.43 2dcy n PRO 47 Ca -0.19 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.36 2dcy n PRO 47 Cb 0.56 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 2dcy n PRO 47 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2dcy n PHE 48 N -1.11 0.00 -2.16 0.54 1.16 -1.26 -3.30 117.46 111.33 2dcy n PHE 48 Ca 0.15 -0.62 -0.41 0.00 -1.87 0.00 0.00 57.45 54.70 2dcy n PHE 48 Cb 0.12 -0.11 -0.02 0.00 -1.61 0.00 0.00 39.48 37.85 2dcy n PHE 48 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2dcy s ARG 49 N -1.78 4.39 -0.31 3.97 3.52 -1.18 -4.63 118.95 122.93 2dcy s ARG 49 Ca 0.19 2.16 -0.13 0.00 -0.13 0.00 0.00 55.73 57.83 2dcy s ARG 49 Cb 0.17 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2dcy s ARG 49 CO 0.02 -0.15 0.27 0.99 -0.81 0.00 0.00 175.30 175.63 2dcy s THR 50 N -1.08 5.25 -0.24 4.11 2.01 -1.26 -2.15 115.64 122.27 2dcy s THR 50 Ca 0.49 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.48 2dcy s THR 50 Cb -0.39 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2dcy s THR 50 CO 0.51 0.08 0.16 -0.63 -0.69 0.00 0.00 174.62 174.05 2dcy s ILE 51 N 1.86 5.32 -0.10 1.82 1.09 -0.35 -4.97 121.20 125.88 2dcy s ILE 51 Ca 0.09 0.17 -0.04 0.00 -1.10 0.00 0.00 60.65 59.77 2dcy s ILE 51 Cb -0.16 -3.49 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 2dcy s ILE 51 CO 0.11 0.34 0.05 0.20 -0.10 0.00 0.00 174.94 175.53 2dcy s ASN 52 N 1.14 5.61 0.12 3.58 -0.87 -0.11 -0.24 114.94 124.17 2dcy s ASN 52 Ca 0.07 0.24 -0.11 0.00 -1.57 0.00 0.00 52.86 51.50 2dcy s ASN 52 Cb -0.14 -1.68 0.01 0.00 -0.02 0.00 0.00 41.25 39.42 2dcy s ASN 52 CO 0.05 0.38 0.27 -0.72 -2.57 0.00 0.00 177.10 174.51 2dcy s TYR 53 N -0.87 0.12 -0.14 2.20 1.13 -0.04 -0.81 117.35 118.94 2dcy s TYR 53 Ca 0.13 -0.50 -0.03 0.00 -1.41 0.00 0.00 57.07 55.26 2dcy s TYR 53 Cb -0.12 0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.82 2dcy s TYR 53 CO 0.03 -0.63 0.04 1.21 -2.51 0.00 0.00 175.55 173.68 2dcy s ASN 54 N -2.87 2.26 -0.85 -0.18 3.84 0.09 -0.43 114.94 116.80 2dcy s ASN 54 Ca 0.07 -0.49 -0.18 0.00 0.21 0.00 0.00 52.86 52.47 2dcy s ASN 54 Cb 0.04 -0.44 0.14 0.00 -0.55 0.00 0.00 41.25 40.43 2dcy s ASN 54 CO -0.08 -0.28 1.00 0.00 -2.79 0.00 0.00 177.10 174.95 2dcy s ALA 55 N 1.98 3.47 0.43 1.71 0.00 -1.26 -1.33 121.76 126.75 2dcy s ALA 55 Ca 0.02 -2.72 0.24 0.00 0.00 0.00 0.00 51.96 49.49 2dcy s ALA 55 Cb -0.15 -3.88 1.33 0.00 0.00 0.00 0.00 23.12 20.41 2dcy s ALA 55 CO -0.07 -2.77 2.05 0.78 0.00 0.00 0.00 175.76 175.75 2dcy h GLY 56 N 9.99 0.00 -6.60 0.00 0.00 -1.35 -1.96 103.07 103.14 2dcy h GLY 56 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.99 2dcy h GLY 56 CO 1.05 0.00 -0.76 0.14 0.00 0.00 0.00 176.54 176.97 2dcy s VAL 57 N -4.32 0.35 -0.32 4.60 1.01 -0.96 -4.83 120.40 115.92 2dcy s VAL 57 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2dcy s VAL 57 Cb 0.14 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.17 2dcy s VAL 57 CO 0.62 0.21 0.10 0.86 0.00 0.00 0.00 175.10 176.89 2dcy s TRP 58 N 1.36 1.94 -0.39 5.22 -0.00 -1.26 -0.64 118.94 125.17 2dcy s TRP 58 Ca -0.04 -1.92 0.10 0.00 -0.00 0.00 0.00 56.10 54.23 2dcy s TRP 58 Cb -0.13 -1.85 0.31 0.00 -0.00 0.00 0.00 33.47 31.80 2dcy s TRP 58 CO -0.02 -0.88 0.66 0.00 -0.00 0.00 0.00 176.95 176.71 2dcy n ALA 59 N 4.68 2.34 -1.77 5.86 0.00 0.27 -5.03 120.51 126.85 2dcy n ALA 59 Ca -0.00 -3.50 -0.40 0.00 0.00 0.00 0.00 53.44 49.53 2dcy n ALA 59 Cb 0.41 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 2dcy n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dcy s PRO 60 N -2.03 4.54 -0.75 0.00 0.04 -1.26 -1.62 135.00 133.93 2dcy s PRO 60 Ca 0.39 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 2dcy s PRO 60 Cb 0.28 -3.15 0.19 0.00 0.04 0.00 0.00 34.50 31.85 2dcy s PRO 60 CO -0.09 0.07 0.59 1.21 0.04 0.00 0.00 177.00 178.82 2dcy s ASN 61 N -0.70 5.54 0.00 6.66 3.04 0.99 -4.92 114.94 125.54 2dcy s ASN 61 Ca 0.46 -3.29 0.00 0.00 0.04 0.00 0.00 52.86 50.07 2dcy s ASN 61 Cb -0.35 -1.87 0.00 0.00 -1.54 0.00 0.00 41.25 37.50 2dcy s ASN 61 CO 0.45 -0.27 0.00 0.61 -3.04 0.00 0.00 177.10 174.84 2dcy n GLY 62 N 2.90 0.22 3.59 1.21 0.00 -1.26 -2.48 105.19 109.36 2dcy n GLY 62 Ca 0.14 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2dcy n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 63 N -4.00 6.58 0.05 1.61 3.84 -1.26 -1.31 114.94 120.45 2dcy s ASN 63 Ca 0.00 0.43 -0.15 0.00 0.21 0.00 0.00 52.86 53.35 2dcy s ASN 63 Cb 0.00 -2.40 0.02 0.00 -0.55 0.00 0.00 41.25 38.32 2dcy s ASN 63 CO 0.00 -0.72 0.33 -0.83 -2.79 0.00 0.00 177.10 173.10 2dcy s GLY 64 N 1.80 -0.16 -0.01 1.21 0.00 -1.26 -1.74 107.32 107.16 2dcy s GLY 64 Ca 0.32 0.06 0.07 0.00 0.00 0.00 0.00 44.72 45.16 2dcy s GLY 64 CO 0.16 -0.17 -0.21 -0.19 0.00 0.00 0.00 173.10 172.69 2dcy s TYR 65 N -2.66 2.48 -0.35 1.90 2.02 0.15 -1.37 117.35 119.52 2dcy s TYR 65 Ca -0.04 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 2dcy s TYR 65 Cb -0.00 -1.52 0.05 0.00 -0.40 0.00 0.00 41.96 40.09 2dcy s TYR 65 CO -0.04 0.10 0.11 -1.17 -1.57 0.00 0.00 175.55 172.98 2dcy s LEU 66 N -0.87 4.41 -0.13 -1.29 2.96 -0.17 -1.39 118.68 122.20 2dcy s LEU 66 Ca 0.11 -1.28 -0.18 0.00 -0.22 0.00 0.00 54.13 52.56 2dcy s LEU 66 Cb -0.10 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.78 2dcy s LEU 66 CO 0.01 -0.36 0.48 0.28 -1.32 0.00 0.00 176.35 175.44 2dcy s THR 67 N 1.35 0.01 0.47 3.68 -1.32 -0.40 -1.15 115.64 118.29 2dcy s THR 67 Ca -0.01 -0.09 -0.24 0.00 -1.21 0.00 0.00 61.69 60.14 2dcy s THR 67 Cb -0.20 -0.71 -0.07 0.00 -1.51 0.00 0.00 72.50 70.01 2dcy s THR 67 CO 0.01 -0.05 1.29 -0.22 -2.21 0.00 0.00 174.62 173.44 2dcy s LEU 68 N -0.23 4.02 -0.13 9.08 2.96 0.23 -0.23 118.68 134.38 2dcy s LEU 68 Ca -0.04 2.60 -0.10 0.00 -0.22 0.00 0.00 54.13 56.38 2dcy s LEU 68 Cb -0.03 -4.14 0.04 0.00 0.50 0.00 0.00 46.19 42.56 2dcy s LEU 68 CO 0.03 -1.14 0.33 -0.47 -1.32 0.00 0.00 176.35 173.78 2dcy s TYR 69 N -1.36 -0.42 0.03 5.38 5.04 0.06 -1.82 117.35 124.26 2dcy s TYR 69 Ca 0.64 0.98 -0.25 0.00 -2.44 0.00 0.00 57.07 56.00 2dcy s TYR 69 Cb -0.36 0.15 0.08 0.00 0.35 0.00 0.00 41.96 42.18 2dcy s TYR 69 CO 0.45 -0.23 1.14 0.41 -1.34 0.00 0.00 175.55 175.97 2dcy n GLY 70 N 3.56 0.35 3.09 8.97 0.00 -0.79 -0.52 105.19 119.86 2dcy n GLY 70 Ca -0.19 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 2dcy n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dcy s TRP 71 N -2.16 0.81 0.26 1.61 0.52 -1.08 -0.88 118.94 118.03 2dcy s TRP 71 Ca 0.26 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.94 2dcy s TRP 71 Cb -0.01 -0.47 -0.05 0.00 -1.15 0.00 0.00 33.47 31.78 2dcy s TRP 71 CO 0.01 -0.05 -0.10 0.95 0.02 0.00 0.00 176.95 177.77 2dcy s THR 72 N -1.51 1.77 0.31 2.01 -4.23 -0.23 -1.81 115.64 111.95 2dcy s THR 72 Ca -0.07 -2.18 0.10 0.00 -1.18 0.00 0.00 61.69 58.36 2dcy s THR 72 Cb -0.09 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 2dcy s THR 72 CO 0.01 -0.40 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.48 2dcy s ARG 73 N -3.68 1.96 -1.11 3.99 0.52 0.14 -1.45 118.95 119.33 2dcy s ARG 73 Ca 0.27 -1.73 -0.05 0.00 -0.52 0.00 0.00 55.73 53.70 2dcy s ARG 73 Cb 0.01 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 2dcy s ARG 73 CO 0.11 0.23 0.92 0.45 0.02 0.00 0.00 175.30 177.02 2dcy n SER 74 N -0.82 -5.11 -4.95 0.23 2.88 -1.26 -2.00 113.62 102.59 2dcy n SER 74 Ca -0.05 -0.72 -0.24 0.00 -1.33 0.00 0.00 58.87 56.53 2dcy n SER 74 Cb 0.61 -4.97 0.04 0.00 -0.75 0.00 0.00 64.21 59.14 2dcy n SER 74 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dcy s PRO 75 N -4.85 2.56 -0.33 -1.46 0.04 -1.26 -2.04 135.00 127.66 2dcy s PRO 75 Ca 0.32 -0.46 -0.29 0.00 0.04 0.00 0.00 61.00 60.62 2dcy s PRO 75 Cb -0.05 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2dcy s PRO 75 CO 0.75 -0.82 1.56 -1.17 0.04 0.00 0.00 177.00 177.37 2dcy s LEU 76 N -4.92 3.67 -0.02 -3.56 2.96 -1.26 -3.81 118.68 111.75 2dcy s LEU 76 Ca 0.56 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 2dcy s LEU 76 Cb -0.10 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.07 2dcy s LEU 76 CO 0.41 -1.43 0.01 -0.63 -1.32 0.00 0.00 176.35 173.40 2dcy s ILE 77 N 5.67 0.07 -0.23 6.68 -1.09 -0.53 -3.76 121.20 128.00 2dcy s ILE 77 Ca 0.69 0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 59.10 2dcy s ILE 77 Cb -0.19 -0.16 -0.05 0.00 -1.58 0.00 0.00 42.46 40.48 2dcy s ILE 77 CO 0.31 0.10 0.19 -0.70 -1.23 0.00 0.00 174.94 173.61 2dcy s GLU 78 N 0.81 4.09 0.17 2.79 2.12 -0.94 -1.06 118.70 126.68 2dcy s GLU 78 Ca -0.07 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.13 2dcy s GLU 78 Cb -0.11 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2dcy s GLU 78 CO -0.02 0.06 -0.17 1.52 -0.54 0.00 0.00 175.26 176.11 2dcy s TYR 79 N 1.06 1.72 -0.04 5.30 -0.85 -0.06 -1.47 117.35 123.02 2dcy s TYR 79 Ca 0.09 -0.51 -0.03 0.00 -0.52 0.00 0.00 57.07 56.10 2dcy s TYR 79 Cb -0.14 -0.85 0.01 0.00 0.38 0.00 0.00 41.96 41.36 2dcy s TYR 79 CO 0.05 0.31 0.09 0.71 -1.52 0.00 0.00 175.55 175.19 2dcy s TYR 80 N -2.28 -0.10 -0.38 -3.49 1.51 -0.15 -1.88 117.35 110.58 2dcy s TYR 80 Ca 0.16 0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 2dcy s TYR 80 Cb -0.04 0.03 0.11 0.00 -0.11 0.00 0.00 41.96 41.95 2dcy s TYR 80 CO 0.06 -0.05 0.13 0.08 -1.11 0.00 0.00 175.55 174.66 2dcy s VAL 81 N 0.07 1.88 -0.34 0.71 1.01 -0.75 -1.26 120.40 121.71 2dcy s VAL 81 Ca -0.00 -2.34 -0.24 0.00 0.00 0.00 0.00 61.98 59.40 2dcy s VAL 81 Cb -0.01 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2dcy s VAL 81 CO 0.00 -0.70 0.85 -0.69 0.00 0.00 0.00 175.10 174.56 2dcy s VAL 82 N 0.77 4.69 -0.13 2.92 1.01 0.20 -0.60 120.40 129.26 2dcy s VAL 82 Ca 0.13 1.13 0.14 0.00 0.00 0.00 0.00 61.98 63.37 2dcy s VAL 82 Cb -0.21 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 2dcy s VAL 82 CO -0.09 -0.41 0.34 0.47 0.00 0.00 0.00 175.10 175.40 2dcy n ASP 83 N 6.50 0.57 -3.97 3.32 8.00 -0.30 -1.31 116.55 129.35 2dcy n ASP 83 Ca 0.05 0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.64 2dcy n ASP 83 Cb 0.48 0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.90 2dcy n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dcy s SER 84 N -5.87 0.03 0.26 -2.24 0.15 -1.06 -0.71 113.70 104.26 2dcy s SER 84 Ca -0.09 -1.06 -0.08 0.00 0.70 0.00 0.00 55.95 55.41 2dcy s SER 84 Cb 0.07 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2dcy s SER 84 CO 0.82 -1.10 0.49 -2.67 1.20 0.00 0.00 173.24 171.97 2dcy n TRP 85 N -0.38 -1.74 0.00 3.44 2.14 -1.26 -1.00 117.44 118.65 2dcy n TRP 85 Ca -0.01 -1.34 0.00 0.00 2.07 0.00 0.00 57.50 58.23 2dcy n TRP 85 Cb 0.63 0.57 0.00 0.00 -0.81 0.00 0.00 31.31 31.69 2dcy n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2dcy n GLY 86 N -0.37 0.46 0.05 -1.67 0.00 -0.47 -4.90 105.19 98.29 2dcy n GLY 86 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2dcy n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dcy n THR 87 N 0.00 0.27 -4.07 2.61 -2.24 -0.42 -4.82 114.28 105.61 2dcy n THR 87 Ca 0.00 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 2dcy n THR 87 Cb 0.00 -0.16 -0.17 0.00 -2.10 0.00 0.00 70.33 67.90 2dcy n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2dcy s TYR 88 N -3.10 2.08 -0.35 4.78 5.04 -1.26 -5.00 117.35 119.54 2dcy s TYR 88 Ca 0.09 -1.13 -0.18 0.00 -2.44 0.00 0.00 57.07 53.40 2dcy s TYR 88 Cb 0.15 -1.54 -0.00 0.00 0.35 0.00 0.00 41.96 40.92 2dcy s TYR 88 CO 0.67 -0.63 0.52 0.50 -1.34 0.00 0.00 175.55 175.27 2dcy s ARG 89 N 1.44 3.64 0.16 4.97 3.52 -1.26 -4.82 118.95 126.60 2dcy s ARG 89 Ca 0.03 -0.13 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 2dcy s ARG 89 Cb -0.13 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.37 2dcy s ARG 89 CO -0.09 -0.64 1.41 -1.25 -0.81 0.00 0.00 175.30 173.92 2dcy s PRO 90 N 2.41 4.31 0.17 5.12 0.04 -1.26 -5.01 135.00 140.78 2dcy s PRO 90 Ca 0.19 2.15 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 2dcy s PRO 90 Cb -0.15 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2dcy s PRO 90 CO 0.13 -0.42 0.07 0.95 0.04 0.00 0.00 177.00 177.77 2dcy s THR 91 N 0.75 0.24 0.00 1.26 -4.23 -1.26 -4.91 115.64 107.49 2dcy s THR 91 Ca 0.63 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2dcy s THR 91 Cb -0.39 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2dcy s THR 91 CO 0.34 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2dcy n GLY 92 N -0.21 3.97 3.64 3.99 0.00 -1.26 -5.03 105.19 110.29 2dcy n GLY 92 Ca -0.03 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 2dcy n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dcy s THR 93 N 0.23 4.32 0.07 2.61 2.01 0.15 -4.84 115.64 120.19 2dcy s THR 93 Ca 0.00 1.53 -0.31 0.00 0.31 0.00 0.00 61.69 63.23 2dcy s THR 93 Cb 0.00 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2dcy s THR 93 CO 0.00 -0.39 1.34 -0.47 -0.69 0.00 0.00 174.62 174.41 2dcy s TYR 94 N 3.89 3.18 -0.16 4.92 5.04 -1.26 -1.49 117.35 131.48 2dcy s TYR 94 Ca 0.52 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 2dcy s TYR 94 Cb -0.16 -3.61 -0.10 0.00 0.35 0.00 0.00 41.96 38.44 2dcy s TYR 94 CO 0.18 -2.11 -0.14 1.63 -1.34 0.00 0.00 175.55 173.76 2dcy n LYS 95 N 4.35 0.39 -3.97 4.97 4.76 0.11 -4.97 118.16 123.80 2dcy n LYS 95 Ca 0.11 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2dcy n LYS 95 Cb 0.44 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2dcy n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dcy n GLY 96 N 2.70 -0.81 3.25 0.72 0.00 -1.24 -5.00 105.19 104.80 2dcy n GLY 96 Ca -0.28 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 2dcy n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dcy s THR 97 N -3.00 1.22 -0.02 2.61 -4.23 -1.26 -0.47 115.64 110.48 2dcy s THR 97 Ca 0.00 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2dcy s THR 97 Cb 0.00 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 72.03 2dcy s THR 97 CO 0.00 -0.70 0.06 0.54 -0.54 0.00 0.00 174.62 173.98 2dcy s VAL 98 N -3.18 -0.00 -0.18 2.29 0.11 -0.11 -4.94 120.40 114.40 2dcy s VAL 98 Ca 0.16 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 2dcy s VAL 98 Cb 0.02 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.72 2dcy s VAL 98 CO 0.01 0.00 0.20 -0.54 -3.33 0.00 0.00 175.10 171.44 2dcy s LYS 99 N 0.06 4.17 -0.15 1.54 1.02 -1.26 -0.50 119.74 124.61 2dcy s LYS 99 Ca -0.00 -0.08 -0.23 0.00 0.02 0.00 0.00 55.97 55.67 2dcy s LYS 99 Cb -0.01 -3.41 0.06 0.00 -0.52 0.00 0.00 37.83 33.95 2dcy s LYS 99 CO -0.00 0.31 0.59 0.45 -0.92 0.00 0.00 175.35 175.78 2dcy s SER 100 N 0.30 -0.59 -1.56 2.83 0.15 -0.32 -4.98 113.70 109.53 2dcy s SER 100 Ca 0.12 0.95 -0.12 0.00 0.70 0.00 0.00 55.95 57.60 2dcy s SER 100 Cb -0.12 0.94 0.09 0.00 -1.71 0.00 0.00 66.02 65.22 2dcy s SER 100 CO 0.01 -0.35 0.78 0.47 1.20 0.00 0.00 173.24 175.35 2dcy n ASP 101 N 2.07 -3.07 0.00 5.45 8.00 -1.26 -1.43 116.55 126.31 2dcy n ASP 101 Ca -0.16 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2dcy n ASP 101 Cb 0.56 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 2dcy n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcy n GLY 102 N -1.63 1.83 3.58 0.44 0.00 -1.26 -4.94 105.19 103.20 2dcy n GLY 102 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2dcy n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dcy s GLY 103 N -1.95 2.32 -0.10 -0.02 0.00 -0.51 -5.14 107.32 101.92 2dcy s GLY 103 Ca 0.00 -2.18 0.02 0.00 0.00 0.00 0.00 44.72 42.56 2dcy s GLY 103 CO 0.00 -2.06 -0.15 -1.59 0.00 0.00 0.00 173.10 169.30 2dcy s THR 104 N -2.65 2.92 -0.03 0.90 2.01 -1.26 -1.17 115.64 116.37 2dcy s THR 104 Ca 0.34 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2dcy s THR 104 Cb 0.05 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2dcy s THR 104 CO 0.17 0.55 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.10 2dcy s TYR 105 N 0.02 2.40 0.20 4.92 1.51 0.34 -0.76 117.35 125.98 2dcy s TYR 105 Ca -0.05 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 2dcy s TYR 105 Cb -0.14 -1.53 -0.08 0.00 -0.11 0.00 0.00 41.96 40.10 2dcy s TYR 105 CO 0.04 -0.01 0.71 -0.51 -1.11 0.00 0.00 175.55 174.68 2dcy s ASP 106 N -0.61 7.11 -0.17 2.29 1.01 0.08 -0.93 116.67 125.46 2dcy s ASP 106 Ca 0.09 1.43 -0.06 0.00 0.71 0.00 0.00 52.55 54.73 2dcy s ASP 106 Cb -0.10 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2dcy s ASP 106 CO -0.00 0.09 0.03 -0.63 0.21 0.00 0.00 175.17 174.87 2dcy s ILE 107 N -1.42 4.55 0.09 0.77 1.01 0.37 -0.17 121.20 126.40 2dcy s ILE 107 Ca 0.40 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2dcy s ILE 107 Cb -0.18 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2dcy s ILE 107 CO 0.22 0.48 -0.09 -0.31 0.00 0.00 0.00 174.94 175.23 2dcy s TYR 108 N 0.28 0.96 0.17 3.97 2.02 -0.30 -0.71 117.35 123.73 2dcy s TYR 108 Ca 0.02 -0.67 0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2dcy s TYR 108 Cb -0.13 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 2dcy s TYR 108 CO 0.01 -0.04 -0.24 0.95 -1.57 0.00 0.00 175.55 174.66 2dcy s THR 109 N -2.41 2.40 0.13 -0.71 -4.23 -0.55 -0.93 115.64 109.34 2dcy s THR 109 Ca 0.03 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2dcy s THR 109 Cb -0.03 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 2dcy s THR 109 CO -0.01 -0.05 0.11 0.42 -0.54 0.00 0.00 174.62 174.56 2dcy s THR 110 N -1.48 0.10 -0.08 3.99 -4.23 -0.67 -0.68 115.64 112.60 2dcy s THR 110 Ca 0.19 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2dcy s THR 110 Cb -0.09 -1.93 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 2dcy s THR 110 CO 0.09 -0.47 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.59 2dcy s THR 111 N -4.01 2.21 -0.11 3.99 2.01 -1.26 -0.35 115.64 118.12 2dcy s THR 111 Ca 0.20 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 2dcy s THR 111 Cb 0.06 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2dcy s THR 111 CO 0.00 0.56 0.05 -0.13 -0.69 0.00 0.00 174.62 174.41 2dcy s ARG 112 N 0.05 3.27 -0.05 4.92 1.81 -0.53 -4.98 118.95 123.44 2dcy s ARG 112 Ca -0.09 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.58 2dcy s ARG 112 Cb -0.15 -2.96 0.03 0.00 -0.45 0.00 0.00 34.95 31.41 2dcy s ARG 112 CO 0.06 0.65 0.02 -0.47 -0.68 0.00 0.00 175.30 174.87 2dcy s TYR 113 N -0.71 0.42 -1.28 -0.53 6.14 -1.26 -1.50 117.35 118.63 2dcy s TYR 113 Ca 0.12 -0.01 -0.02 0.00 0.64 0.00 0.00 57.07 57.80 2dcy s TYR 113 Cb -0.12 -0.63 -0.00 0.00 0.42 0.00 0.00 41.96 41.63 2dcy s TYR 113 CO 0.02 -0.25 0.71 0.09 0.64 0.00 0.00 175.55 176.77 2dcy n ASN 114 N 4.99 -1.64 -4.27 4.32 5.03 -0.31 -4.92 115.26 118.46 2dcy n ASN 114 Ca -0.10 -0.83 -0.18 0.00 0.87 0.00 0.00 54.58 54.34 2dcy n ASN 114 Cb 0.50 -4.05 -0.11 0.00 -1.02 0.00 0.00 39.78 35.10 2dcy n ASN 114 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dcy s ALA 115 N -3.65 1.61 0.40 5.41 0.00 -0.22 -4.55 121.76 120.76 2dcy s ALA 115 Ca 0.05 -1.38 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 2dcy s ALA 115 Cb -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 2dcy s ALA 115 CO 0.81 0.09 1.19 -1.25 0.00 0.00 0.00 175.76 176.61 2dcy s PRO 116 N -2.90 4.04 0.30 0.00 0.04 -0.96 -0.43 135.00 135.08 2dcy s PRO 116 Ca 0.12 1.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 2dcy s PRO 116 Cb -0.04 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.84 2dcy s PRO 116 CO 0.04 -0.35 0.49 -1.13 0.04 0.00 0.00 177.00 176.09 2dcy n SER 117 N 0.08 -1.40 0.04 6.66 3.41 -0.21 -4.93 113.62 117.27 2dcy n SER 117 Ca 0.04 -2.44 0.05 0.00 -0.26 0.00 0.00 58.87 56.26 2dcy n SER 117 Cb 0.46 2.47 0.26 0.00 -0.26 0.00 0.00 64.21 67.14 2dcy n SER 117 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2dcy n ILE 118 N -0.46 1.39 1.04 -1.33 -5.35 -1.26 -2.34 119.36 111.05 2dcy n ILE 118 Ca -0.02 0.43 0.12 0.00 -0.27 0.00 0.00 62.75 63.01 2dcy n ILE 118 Cb 0.48 -1.35 0.11 0.00 -1.74 0.00 0.00 39.64 37.14 2dcy n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2dcy n ASP 119 N -1.72 2.71 0.00 7.28 8.00 -1.26 -5.07 116.55 126.48 2dcy n ASP 119 Ca 0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.64 2dcy n ASP 119 Cb 0.09 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2dcy n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcy n GLY 120 N 1.35 -0.67 0.12 0.44 0.00 -0.99 -4.95 105.19 100.49 2dcy n GLY 120 Ca 0.13 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.49 2dcy n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dcy h ASP 121 N 0.00 0.00 -2.82 1.61 3.45 -1.84 -0.55 116.42 116.27 2dcy h ASP 121 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 2dcy h ASP 121 Cb 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 38.38 2dcy h ASP 121 CO 0.00 0.65 -0.82 -0.13 -1.57 0.00 0.00 179.24 177.37 2dcy s ARG 122 N -3.00 0.77 0.21 3.56 1.81 -1.25 -2.27 118.95 118.78 2dcy s ARG 122 Ca 0.02 -1.55 0.01 0.00 -1.72 0.00 0.00 55.73 52.49 2dcy s ARG 122 Cb 0.09 -1.59 -0.05 0.00 -0.45 0.00 0.00 34.95 32.96 2dcy s ARG 122 CO 0.76 -1.21 0.06 0.95 -0.68 0.00 0.00 175.30 175.18 2dcy s THR 123 N 0.83 0.54 -0.08 0.02 -4.23 0.43 -4.68 115.64 108.46 2dcy s THR 123 Ca 0.19 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 2dcy s THR 123 Cb -0.22 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.26 2dcy s THR 123 CO -0.00 -0.23 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.78 2dcy s THR 124 N -3.76 1.55 0.22 3.99 2.01 -1.26 -1.05 115.64 117.33 2dcy s THR 124 Ca 0.31 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.36 2dcy s THR 124 Cb 0.07 -1.36 0.04 0.00 0.01 0.00 0.00 72.50 71.26 2dcy s THR 124 CO 0.09 0.45 0.73 0.72 -0.69 0.00 0.00 174.62 175.91 2dcy s PHE 125 N 0.46 -0.28 -0.04 4.92 -0.12 -0.56 -5.01 117.98 117.34 2dcy s PHE 125 Ca -0.15 -0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 56.62 2dcy s PHE 125 Cb -0.16 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2dcy s PHE 125 CO 0.06 -1.05 0.15 0.99 -0.05 0.00 0.00 175.22 175.32 2dcy s THR 126 N -3.75 5.31 -0.17 -4.49 2.01 -1.25 -1.45 115.64 111.85 2dcy s THR 126 Ca 0.08 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2dcy s THR 126 Cb -0.04 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2dcy s THR 126 CO 0.00 0.42 0.03 -1.10 -0.69 0.00 0.00 174.62 173.28 2dcy s GLN 127 N -1.63 3.86 -0.11 4.92 -0.21 0.53 -2.21 119.66 124.80 2dcy s GLN 127 Ca 0.23 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.19 2dcy s GLN 127 Cb -0.12 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 2dcy s GLN 127 CO 0.13 0.29 0.01 0.71 -2.12 0.00 0.00 175.29 174.31 2dcy s TYR 128 N 0.30 3.16 -0.02 0.91 2.02 -0.54 -1.67 117.35 121.50 2dcy s TYR 128 Ca 0.02 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 2dcy s TYR 128 Cb -0.13 -1.86 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2dcy s TYR 128 CO 0.01 0.34 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.64 2dcy s TRP 129 N -0.49 1.13 -0.15 2.71 0.52 -0.10 -0.97 118.94 121.58 2dcy s TRP 129 Ca 0.09 -0.27 -0.02 0.00 0.02 0.00 0.00 56.10 55.92 2dcy s TRP 129 Cb -0.12 -0.78 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 2dcy s TRP 129 CO 0.02 -0.09 -0.09 -1.12 0.02 0.00 0.00 176.95 175.69 2dcy s SER 130 N 0.03 4.22 -0.14 2.95 0.01 -0.39 -1.15 113.70 119.23 2dcy s SER 130 Ca -0.01 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2dcy s SER 130 Cb -0.08 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.50 2dcy s SER 130 CO 0.01 0.13 -0.12 -0.69 0.41 0.00 0.00 173.24 172.97 2dcy s VAL 131 N 0.60 1.42 0.52 3.43 1.01 0.76 -0.63 120.40 127.51 2dcy s VAL 131 Ca -0.06 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2dcy s VAL 131 Cb -0.15 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 2dcy s VAL 131 CO 0.03 0.43 1.39 -0.60 0.00 0.00 0.00 175.10 176.36 2dcy s ARG 132 N 1.52 3.28 0.34 2.72 3.52 -0.43 -0.74 118.95 129.17 2dcy s ARG 132 Ca 0.04 2.32 0.17 0.00 -0.13 0.00 0.00 55.73 58.13 2dcy s ARG 132 Cb -0.13 -2.38 0.55 0.00 -1.56 0.00 0.00 34.95 31.43 2dcy s ARG 132 CO -0.10 -1.11 1.68 1.96 -0.81 0.00 0.00 175.30 176.92 2dcy h GLN 133 N 1.70 0.00 -4.58 5.12 4.20 -1.31 -3.44 115.11 116.80 2dcy h GLN 133 Ca -0.51 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 57.97 2dcy h GLN 133 Cb 1.29 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.90 2dcy h GLN 133 CO 0.58 0.45 -0.71 -1.12 -0.67 0.00 0.00 178.83 177.36 2dcy s SER 134 N -6.52 0.99 0.29 1.46 0.01 -1.26 -5.09 113.70 103.59 2dcy s SER 134 Ca 0.00 -0.86 -0.29 0.00 1.31 0.00 0.00 55.95 56.11 2dcy s SER 134 Cb 0.11 0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.32 2dcy s SER 134 CO 0.71 -0.40 1.41 -0.54 0.41 0.00 0.00 173.24 174.84 2dcy s LYS 135 N -3.14 4.26 0.10 12.44 1.02 -1.26 -4.94 119.74 128.22 2dcy s LYS 135 Ca 0.05 2.33 -0.30 0.00 0.02 0.00 0.00 55.97 58.06 2dcy s LYS 135 Cb 0.01 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2dcy s LYS 135 CO -0.04 -0.38 1.13 0.50 -0.92 0.00 0.00 175.35 175.65 2dcy s ARG 136 N -1.05 4.51 0.42 1.68 3.52 0.11 -4.99 118.95 123.15 2dcy s ARG 136 Ca 0.55 1.71 -0.25 0.00 -0.13 0.00 0.00 55.73 57.61 2dcy s ARG 136 Cb -0.42 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.54 2dcy s ARG 136 CO 0.49 -0.10 1.15 -2.30 -0.81 0.00 0.00 175.30 173.74 2dcy n PRO 137 N 3.29 1.66 -4.34 5.12 -0.02 -1.26 -4.80 135.00 134.65 2dcy n PRO 137 Ca 0.06 0.59 -0.26 0.00 -2.02 0.00 0.00 63.50 61.87 2dcy n PRO 137 Cb 0.47 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 2dcy n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2dcy s THR 138 N -1.23 2.97 0.00 3.45 -4.23 -1.26 -4.78 115.64 110.56 2dcy s THR 138 Ca 0.62 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2dcy s THR 138 Cb -0.53 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2dcy s THR 138 CO 0.57 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2dcy n GLY 139 N -0.08 1.35 3.63 3.99 0.00 -0.74 -4.99 105.19 108.35 2dcy n GLY 139 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2dcy n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcy s SER 140 N -1.90 4.10 0.30 1.61 0.01 -1.26 -4.83 113.70 111.72 2dcy s SER 140 Ca 0.00 -1.08 -0.30 0.00 1.31 0.00 0.00 55.95 55.89 2dcy s SER 140 Cb 0.00 -0.48 -0.11 0.00 0.21 0.00 0.00 66.02 65.64 2dcy s SER 140 CO 0.00 -0.29 1.53 0.20 0.41 0.00 0.00 173.24 175.09 2dcy s ASN 141 N -3.72 6.45 0.04 2.44 0.01 -1.26 -4.51 114.94 114.39 2dcy s ASN 141 Ca 0.35 2.89 0.03 0.00 -0.71 0.00 0.00 52.86 55.42 2dcy s ASN 141 Cb 0.02 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 2dcy s ASN 141 CO 0.19 -0.84 -0.10 0.00 -1.51 0.00 0.00 177.10 174.84 2dcy s ALA 142 N -0.22 0.75 -0.00 0.60 0.00 0.43 -5.00 121.76 118.32 2dcy s ALA 142 Ca 0.60 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.86 2dcy s ALA 142 Cb -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2dcy s ALA 142 CO 0.49 0.06 -0.23 0.99 0.00 0.00 0.00 175.76 177.07 2dcy s THR 143 N -1.19 1.80 -0.31 0.00 2.01 -1.26 -0.86 115.64 115.83 2dcy s THR 143 Ca -0.06 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 60.88 2dcy s THR 143 Cb -0.09 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 70.96 2dcy s THR 143 CO 0.01 0.45 0.02 -0.63 -0.69 0.00 0.00 174.62 173.77 2dcy s ILE 144 N -0.60 3.04 -1.00 1.82 1.01 0.66 -4.79 121.20 121.35 2dcy s ILE 144 Ca 0.09 -1.42 -0.21 0.00 0.00 0.00 0.00 60.65 59.11 2dcy s ILE 144 Cb -0.09 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.70 2dcy s ILE 144 CO -0.00 -0.15 1.33 -0.89 0.00 0.00 0.00 174.94 175.23 2dcy s THR 145 N 1.25 4.30 0.51 2.92 2.01 -1.26 -1.21 115.64 124.15 2dcy s THR 145 Ca -0.04 -1.22 0.17 0.00 0.31 0.00 0.00 61.69 60.91 2dcy s THR 145 Cb -0.20 -4.95 0.26 0.00 0.01 0.00 0.00 72.50 67.62 2dcy s THR 145 CO -0.01 -1.76 2.13 0.15 -0.69 0.00 0.00 174.62 174.44 2dcy h PHE 146 N 9.20 0.00 -0.30 4.92 3.57 -1.74 -1.19 116.94 131.41 2dcy h PHE 146 Ca 0.20 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2dcy h PHE 146 Cb 1.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2dcy h PHE 146 CO 1.23 0.04 0.20 0.66 -2.23 0.00 0.00 178.31 178.21 2dcy h SER 147 N 0.00 0.26 -0.40 0.41 4.64 -1.73 -0.37 113.55 116.36 2dcy h SER 147 Ca -0.00 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2dcy h SER 147 Cb 0.07 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2dcy h SER 147 CO 0.01 0.18 -0.04 0.78 -0.87 0.00 0.00 176.83 176.89 2dcy h ASN 148 N 0.31 0.79 -0.18 4.97 2.35 -1.54 -1.22 115.58 121.06 2dcy h ASN 148 Ca 0.12 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 2dcy h ASN 148 Cb 0.10 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 2dcy h ASN 148 CO -0.03 0.88 -0.21 0.45 -1.65 0.00 0.00 177.43 176.87 2dcy h HIS 149 N 0.75 0.55 -0.82 1.19 3.86 -1.24 -1.82 115.15 117.62 2dcy h HIS 149 Ca 0.14 -0.18 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 2dcy h HIS 149 Cb 0.51 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 2dcy h HIS 149 CO 0.03 0.85 0.51 0.28 0.86 0.00 0.00 177.93 180.45 2dcy h VAL 150 N 0.10 1.06 -0.33 2.45 2.07 -1.03 0.14 116.25 120.71 2dcy h VAL 150 Ca 0.02 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 2dcy h VAL 150 Cb 0.77 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2dcy h VAL 150 CO 0.05 0.17 -0.36 0.78 0.02 0.00 0.00 177.57 178.24 2dcy h ASN 151 N 0.95 0.89 -0.39 0.57 2.35 -1.21 -0.11 115.58 118.63 2dcy h ASN 151 Ca 0.35 -0.48 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2dcy h ASN 151 Cb 0.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2dcy h ASN 151 CO -0.15 1.19 0.13 0.00 -1.65 0.00 0.00 177.43 176.94 2dcy h ALA 152 N 0.73 0.51 -0.57 -0.83 0.00 -0.84 -2.18 119.26 116.08 2dcy h ALA 152 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dcy h ALA 152 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2dcy h ALA 152 CO 0.09 0.15 0.36 -1.49 0.00 0.00 0.00 179.25 178.35 2dcy h TRP 153 N 0.48 0.67 -0.88 0.00 6.55 -0.57 -1.85 115.95 120.36 2dcy h TRP 153 Ca 0.13 0.02 0.10 0.00 0.95 0.00 0.00 58.89 60.09 2dcy h TRP 153 Cb 0.25 -0.22 -0.06 0.00 -0.86 0.00 0.00 29.16 28.26 2dcy h TRP 153 CO 0.01 0.40 0.57 -0.22 -1.05 0.00 0.00 178.44 178.15 2dcy h LYS 154 N 0.71 0.82 0.00 0.49 3.64 -0.70 -0.03 116.57 121.52 2dcy h LYS 154 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2dcy h LYS 154 Cb -0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2dcy h LYS 154 CO -0.08 0.55 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 2dcy h SER 155 N 0.85 0.00 -0.58 4.20 4.64 -0.70 -0.77 113.55 121.19 2dcy h SER 155 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2dcy h SER 155 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2dcy h SER 155 CO -0.18 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.19 2dcy n HIS 156 N -2.76 1.48 -1.10 4.77 8.25 -0.42 -4.92 115.22 120.51 2dcy n HIS 156 Ca 0.00 -0.65 -0.03 0.00 -0.26 0.00 0.00 57.72 56.77 2dcy n HIS 156 Cb 0.22 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 2dcy n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dcy n GLY 157 N 0.82 0.61 3.40 -1.41 0.00 -0.29 -4.98 105.19 103.34 2dcy n GLY 157 Ca 0.25 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 2dcy n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dcy s MET 158 N -1.57 3.30 -0.13 1.61 -1.94 -0.16 -4.97 119.30 115.45 2dcy s MET 158 Ca 0.00 -1.57 -0.08 0.00 -1.71 0.00 0.00 55.69 52.33 2dcy s MET 158 Cb 0.00 -4.47 -0.04 0.00 2.01 0.00 0.00 34.83 32.33 2dcy s MET 158 CO 0.00 -1.60 0.14 -0.80 -0.01 0.00 0.00 175.02 172.75 2dcy s ASN 159 N 3.40 6.37 0.55 3.03 0.01 -1.26 -3.04 114.94 124.00 2dcy s ASN 159 Ca 0.20 0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 52.73 2dcy s ASN 159 Cb -0.16 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 2dcy s ASN 159 CO -0.00 0.38 0.87 -0.76 -1.51 0.00 0.00 177.10 176.07 2dcy s LEU 160 N -0.83 3.41 0.86 0.60 1.43 -1.26 -4.89 118.68 117.99 2dcy s LEU 160 Ca 0.14 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 2dcy s LEU 160 Cb -0.12 -3.83 0.11 0.00 0.03 0.00 0.00 46.19 42.38 2dcy s LEU 160 CO 0.03 -0.82 1.09 -0.83 0.23 0.00 0.00 176.35 176.05 2dcy s GLY 161 N -4.20 1.63 0.03 -3.19 0.00 -1.25 -4.70 107.32 95.64 2dcy s GLY 161 Ca 0.51 -0.00 0.26 0.00 0.00 0.00 0.00 44.72 45.48 2dcy s GLY 161 CO 0.46 0.45 1.53 -1.14 0.00 0.00 0.00 173.10 174.40 2dcy n SER 162 N -3.77 0.42 -4.26 1.64 3.41 -0.87 -4.73 113.62 105.47 2dcy n SER 162 Ca 0.07 0.01 -0.37 0.00 -0.26 0.00 0.00 58.87 58.33 2dcy n SER 162 Cb 0.55 0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 2dcy n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dcy s ASN 163 N -3.24 5.12 -0.16 4.04 3.04 -0.85 -5.01 114.94 117.88 2dcy s ASN 163 Ca 0.11 -1.06 -0.17 0.00 0.04 0.00 0.00 52.86 51.78 2dcy s ASN 163 Cb 0.17 -1.82 -0.04 0.00 -1.54 0.00 0.00 41.25 38.02 2dcy s ASN 163 CO 0.66 -0.27 0.45 0.26 -3.04 0.00 0.00 177.10 175.16 2dcy s TRP 164 N 1.39 3.44 0.00 0.43 0.52 -1.26 0.28 118.94 123.74 2dcy s TRP 164 Ca -0.01 0.77 0.00 0.00 0.02 0.00 0.00 56.10 56.88 2dcy s TRP 164 Cb -0.19 -2.55 0.00 0.00 -1.15 0.00 0.00 33.47 29.58 2dcy s TRP 164 CO 0.01 0.07 0.00 0.00 0.02 0.00 0.00 176.95 177.06 2dcy n ALA 165 N 4.11 0.00 -1.60 0.98 0.00 -0.75 -4.55 120.51 118.69 2dcy n ALA 165 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 2dcy n ALA 165 Cb 0.51 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.07 2dcy n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2dcy s TYR 166 N 2.68 2.71 -0.26 0.00 -0.85 -1.11 -0.33 117.35 120.19 2dcy s TYR 166 Ca 0.00 0.95 -0.04 0.00 -0.52 0.00 0.00 57.07 57.46 2dcy s TYR 166 Cb 0.00 -3.30 0.14 0.00 0.38 0.00 0.00 41.96 39.18 2dcy s TYR 166 CO 0.00 -2.04 0.48 -1.14 -1.52 0.00 0.00 175.55 171.33 2dcy s GLN 167 N -5.28 0.43 0.08 -3.49 0.74 -0.32 -2.62 119.66 109.22 2dcy s GLN 167 Ca 0.62 0.89 0.01 0.00 0.05 0.00 0.00 55.36 56.94 2dcy s GLN 167 Cb -0.14 0.15 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 2dcy s GLN 167 CO 0.53 -0.50 -0.06 0.14 -0.55 0.00 0.00 175.29 174.85 2dcy s VAL 168 N 2.69 0.61 -0.38 1.34 -7.23 0.32 -0.51 120.40 117.25 2dcy s VAL 168 Ca 0.10 -1.79 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 2dcy s VAL 168 Cb -0.14 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.31 2dcy s VAL 168 CO -0.17 -0.81 0.41 -0.32 -0.31 0.00 0.00 175.10 173.90 2dcy s MET 169 N -3.49 3.34 0.21 4.82 1.75 -0.11 -0.76 119.30 125.04 2dcy s MET 169 Ca 0.08 -0.57 0.10 0.00 -1.25 0.00 0.00 55.69 54.05 2dcy s MET 169 Cb 0.03 -3.89 -0.04 0.00 2.84 0.00 0.00 34.83 33.77 2dcy s MET 169 CO -0.05 -0.70 -0.11 0.00 -0.65 0.00 0.00 175.02 173.52 2dcy s ALA 170 N 2.10 2.90 -0.24 4.11 0.00 0.68 -3.02 121.76 128.29 2dcy s ALA 170 Ca 0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 2dcy s ALA 170 Cb -0.17 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 2dcy s ALA 170 CO 0.13 0.41 -0.01 0.99 0.00 0.00 0.00 175.76 177.28 2dcy s THR 171 N -1.88 3.48 0.06 0.00 2.01 0.72 -1.27 115.64 118.76 2dcy s THR 171 Ca 0.26 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.74 2dcy s THR 171 Cb -0.08 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2dcy s THR 171 CO 0.15 0.30 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.48 2dcy s GLU 172 N 1.47 1.90 0.08 4.92 2.12 -0.49 -0.88 118.70 127.82 2dcy s GLU 172 Ca 0.04 -1.08 -0.02 0.00 0.36 0.00 0.00 54.97 54.28 2dcy s GLU 172 Cb -0.15 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 2dcy s GLU 172 CO -0.02 0.51 0.01 0.20 -0.54 0.00 0.00 175.26 175.43 2dcy s GLY 173 N -1.60 0.59 -0.06 -1.50 0.00 -0.78 0.30 107.32 104.27 2dcy s GLY 173 Ca 0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 2dcy s GLY 173 CO 0.06 -1.29 0.11 -0.47 0.00 0.00 0.00 173.10 171.50 2dcy s TYR 174 N -3.95 -0.06 -1.22 1.90 5.04 -0.71 -2.05 117.35 116.30 2dcy s TYR 174 Ca 0.12 0.42 -0.25 0.00 -2.44 0.00 0.00 57.07 54.93 2dcy s TYR 174 Cb 0.08 -0.36 0.02 0.00 0.35 0.00 0.00 41.96 42.04 2dcy s TYR 174 CO -0.07 -0.22 0.67 1.04 -1.34 0.00 0.00 175.55 175.63 2dcy n GLN 175 N 5.26 -0.93 -2.92 4.97 6.02 -0.29 -4.27 117.38 125.22 2dcy n GLN 175 Ca -0.05 0.26 -0.08 0.00 -0.01 0.00 0.00 57.00 57.12 2dcy n GLN 175 Cb 0.50 -3.41 -0.01 0.00 1.02 0.00 0.00 30.24 28.34 2dcy n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2dcy n SER 176 N -2.47 -0.85 -4.24 1.08 3.41 -1.26 -4.67 113.62 104.62 2dcy n SER 176 Ca -0.13 -2.07 -0.13 0.00 -0.26 0.00 0.00 58.87 56.27 2dcy n SER 176 Cb 0.59 1.56 -0.10 0.00 -0.26 0.00 0.00 64.21 66.00 2dcy n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dcy s SER 177 N -2.25 1.08 0.00 4.04 0.01 -1.03 -1.69 113.70 113.85 2dcy s SER 177 Ca 0.16 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2dcy s SER 177 Cb -0.01 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2dcy s SER 177 CO 0.11 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2dcy n GLY 178 N -0.26 -2.04 3.07 3.44 0.00 -0.14 -0.01 105.19 109.25 2dcy n GLY 178 Ca -0.05 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 2dcy n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dcy s SER 179 N -2.09 0.10 0.04 1.61 1.04 -0.64 -1.22 113.70 112.55 2dcy s SER 179 Ca 0.00 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 2dcy s SER 179 Cb 0.00 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 2dcy s SER 179 CO 0.00 -0.37 0.11 -0.94 0.98 0.00 0.00 173.24 173.03 2dcy s SER 180 N -1.48 0.17 -0.16 7.02 1.04 0.08 -0.57 113.70 119.80 2dcy s SER 180 Ca -0.14 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 2dcy s SER 180 Cb -0.08 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.37 2dcy s SER 180 CO 0.00 -0.55 0.28 0.21 0.98 0.00 0.00 173.24 174.16 2dcy s ASN 181 N -2.25 0.45 -0.01 7.02 3.84 0.19 -1.29 114.94 122.89 2dcy s ASN 181 Ca -0.03 0.47 0.01 0.00 0.21 0.00 0.00 52.86 53.51 2dcy s ASN 181 Cb 0.00 0.74 0.01 0.00 -0.55 0.00 0.00 41.25 41.45 2dcy s ASN 181 CO -0.06 -0.26 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.28 2dcy s VAL 182 N 2.43 0.25 -0.12 -5.21 1.01 -0.28 -0.92 120.40 117.57 2dcy s VAL 182 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2dcy s VAL 182 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2dcy s VAL 182 CO -0.10 0.10 -0.14 -0.89 0.00 0.00 0.00 175.10 174.07 2dcy s THR 183 N 0.31 2.95 -0.04 3.92 2.01 -0.44 -0.86 115.64 123.49 2dcy s THR 183 Ca -0.03 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2dcy s THR 183 Cb -0.06 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2dcy s THR 183 CO -0.01 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.54 2dcy s VAL 184 N 0.24 1.86 0.00 3.82 1.01 0.02 -0.73 120.40 126.62 2dcy s VAL 184 Ca -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2dcy s VAL 184 Cb -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2dcy s VAL 184 CO 0.06 0.52 0.00 -2.67 0.00 0.00 0.00 175.10 173.01